Information card for entry 4315822

Structure parameters

• Formula: C84 H176 Er2 N12 O2 S2 Si8
• Calculated formula: C84 H176 Er2 N12 O2 S2 Si8
• SMILES: [Er]123([S]4[Er]56([S]14)([N](=C(N5C1CCCCC1)N([Si](C)(C)C)[Si](C)(C)C)C1CCCCC1)[N](=C(N6C1CCCCC1)N([Si](C)(C)C)[Si](C)(C)C)C1CCCCC1)([N](=C(N2C1CCCCC1)N([Si](C)(C)C)[Si](C)(C)C)C1CCCCC1)[N](=C(N3C1CCCCC1)N([Si](C)(C)C)[Si](C)(C)C)C1CCCCC1.O1CCCC1.O1CCCC1
• Title of publication: Activation of Bis(guanidinate)lanthanide Alkyl and Aryl Complexes on Elemental Sulfur: Synthesis and Characterization of Bis(guanidinate)lanthanide Thiolates and Disulfides
• Authors of publication: Zhengxing Zhang; Lixin Zhang; Yanrong Li; Longcheng Hong; Zhenxia Chen; Xigeng Zhou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5715 - 5722
• a: 13.958 ± 0.007 Å
• b: 28.393 ± 0.015 Å
• c: 14.333 ± 0.008 Å
• α: 90°
• β: 91.368 ± 0.007°
• γ: 90°
• Cell volume: 5679 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1631
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No